N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide

C18H20F3N3 — CID 19353729

IUPACN'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide
SMILESCN(CCc1ccc(/N=C(\N)C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C18H20F3N3/c1-24(13-15-5-3-2-4-6-15)12-11-14-7-9-16(10-8-14)23-17(22)18(19,20)21/h2-10H,11-13H2,1H3,(H2,22,23)
InChIKeyUUOVNUBOGOPRDR-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.91
Rot. Bonds6

About N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide

N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide (PubChem CID 19353729) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide
PubChem CID19353729
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide
SMILESCN(CCc1ccc(/N=C(\N)C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C18H20F3N3/c1-24(13-15-5-3-2-4-6-15)12-11-14-7-9-16(10-8-14)23-17(22)18(19,20)21/h2-10H,11-13H2,1H3,(H2,22,23)
InChIKeyUUOVNUBOGOPRDR-UHFFFAOYSA-N
XLogP3.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide (CID 19353729) is N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide is CN(CCc1ccc(/N=C(\N)C(F)(F)F)cc1)Cc1ccccc1.
What is the InChIKey of N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide?
The InChIKey is UUOVNUBOGOPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c1-24(13-15-5-3-2-4-6-15)12-11-14-7-9-16(10-8-14)23-17(22)18(19,20)21/h2-10H,11-13H2,1H3,(H2,22,23).
What are the key properties of N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide?
N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide has a molecular weight of 335.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 19353729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).